5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione

C14H16N2O2S — CID 106521547

IUPAC5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione
SMILESCCCOc1ccccc1-c1[nH]cnc(=S)c1OC
InChIInChI=1S/C14H16N2O2S/c1-3-8-18-11-7-5-4-6-10(11)12-13(17-2)14(19)16-9-15-12/h4-7,9H,3,8H2,1-2H3,(H,15,16,19)
InChIKeyWIPCHBVKMPUCOY-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.60
Rot. Bonds5

About 5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione

5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione (PubChem CID 106521547) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione
PubChem CID106521547
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione
SMILESCCCOc1ccccc1-c1[nH]cnc(=S)c1OC
InChIInChI=1S/C14H16N2O2S/c1-3-8-18-11-7-5-4-6-10(11)12-13(17-2)14(19)16-9-15-12/h4-7,9H,3,8H2,1-2H3,(H,15,16,19)
InChIKeyWIPCHBVKMPUCOY-UHFFFAOYSA-N
XLogP3.60
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-(2-propoxyphenyl)-1H-pyrimidine-4-thione
CID 106521585
6-(2-cyclobutylphenyl)-5-methoxy-1H-pyrimidine-4-thione
CID 106522327
5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione
CID 114055039
5-methoxy-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520720
5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione
CID 106518594
3-(2-propoxyphenyl)-1H-pyrazine-2-thione
CID 106521586
4-(2-propoxyphenyl)-2H-phthalazine-1-thione
CID 106521565
2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione
CID 106521583
5-fluoro-6-(2-propoxyphenyl)-1H-pyrimidin-2-one
CID 106521536
5-methyl-6-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106514473
6-(3-chlorothiophen-2-yl)-5-methoxy-1H-pyrimidine-4-thione
CID 107362481
5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione
CID 106513978

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione (CID 106521547) is 5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione is CCCOc1ccccc1-c1[nH]cnc(=S)c1OC.
What is the InChIKey of 5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione?
The InChIKey is WIPCHBVKMPUCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-8-18-11-7-5-4-6-10(11)12-13(17-2)14(19)16-9-15-12/h4-7,9H,3,8H2,1-2H3,(H,15,16,19).
What are the key properties of 5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione?
5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione has a molecular weight of 276.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106521547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).